Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1946 | |
|---|---|---|
| Name: | 1,1,2,2,3,3-hexafluoro-4,4-bis(trifluoromethyl)cyclobutane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexafluorodi(trifluoromethyl)cyclobutane | |
| Labels: | ||
| CAS: | 37360-98-8 | |
| InChi Code: | InChI=1S/C6F12/c7-2(8)1(5(13,14)15,6(16,17)18)3(9,10)4(2,11)12 |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 1.6576 |
experimental value |
| 0.7248 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1075222 | US EPA CompTox Dashboard |